![CAS 1037834-61-9 6-Azaspiro[2.5]octane-6-carboxylic acid, phenylmethyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1037834-61-9.gif)
CAS RN: 1037834-61-9
6-Azaspiro[2.5]octane-6-carboxylic acid, phenylmethyl ester
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260525 | 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1037834-61-9
- Purity/Analytical Methods: >99.0%
1037834-61-9 / benzyl 6-azaspiro[2.5]octane-6-carboxylate
benzyl 6-azaspiro[2.5]octane-6-carboxylate | MFCD18910975 | 6-AZASPIRO[2.5]OCTANE-6-CARBOXYLIC ACID, PHENYLMETHYL ESTER
Basic Information
CAS
1037834-61-9
Multi CAS
No
Molecular Formula
C15H19NO2
Molecular Weight
245.320000
Exact Mass
245.141579
SMILES
C1CC12CCN(CC2)C(=O)OCC3=CC=CC=C3
InChI
InChI=1S/C15H19NO2/c17-14(18-12-13-4-2-1-3-5-13)16-10-8-15(6-7-15)9-11-16/h1-5H,6-12H2
InChIKey
LTXHYQGOXCHMHQ-UHFFFAOYSA-N
Synonyms
benzyl 6-azaspiro[2.5]octane-6-carboxylate
MFCD18910975
6-AZASPIRO[2.5]OCTANE-6-CARBOXYLIC ACID, PHENYLMETHYL ESTER
SCHEMBL934263
6-Cbz-6-azaspiro[2.5]octane
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.53
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
69.1
TPSA
29.54
LogP / Solubility
WLOGP
3.2
MLOGP
2.82
XLogP3
3.1
Consensus LogP
3.04
Log S (ESOL)
-3.49
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.88
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.15
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.95
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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